4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide

C11H23N3O3S — CID 63055271

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCN1CCS(=O)(=O)CC1)C(N)=O
InChIInChI=1S/C11H23N3O3S/c1-9(2)13-10(11(12)15)3-4-14-5-7-18(16,17)8-6-14/h9-10,13H,3-8H2,1-2H3,(H2,12,15)
InChIKeyIMBFDTJFEDAROB-UHFFFAOYSA-N
MW277.39 g/mol
LogP-1.04
Rot. Bonds6

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide

4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide (PubChem CID 63055271) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide
PubChem CID63055271
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCN1CCS(=O)(=O)CC1)C(N)=O
InChIInChI=1S/C11H23N3O3S/c1-9(2)13-10(11(12)15)3-4-14-5-7-18(16,17)8-6-14/h9-10,13H,3-8H2,1-2H3,(H2,12,15)
InChIKeyIMBFDTJFEDAROB-UHFFFAOYSA-N
XLogP-1.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 55145462
4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63028170
4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide
CID 65281802
4-(azocan-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 63030294
methyl 4-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55144289
ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butanoate
CID 63054388
4-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(propan-2-ylamino)butan-1-ol
CID 114083823
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
2-methyl-4-piperidin-1-ylbutanamide
CID 23061678
2-(propan-2-ylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 63152635
methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate
CID 63159718
2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
CID 55142771

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide (CID 63055271) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide is CC(C)NC(CCN1CCS(=O)(=O)CC1)C(N)=O.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide?
The InChIKey is IMBFDTJFEDAROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-9(2)13-10(11(12)15)3-4-14-5-7-18(16,17)8-6-14/h9-10,13H,3-8H2,1-2H3,(H2,12,15).
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide has a molecular weight of 277.39 g/mol, XLogP of -1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63055271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).